4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide

C14H13BrFNOS — CID 86601000

IUPAC4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)c1cc(Br)cs1
InChIInChI=1S/C14H13BrFNOS/c1-17(14(18)13-8-11(15)9-19-13)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyMHUVLAUHYDSFQA-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.96
Rot. Bonds4

About 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide

4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 86601000) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID86601000
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)c1cc(Br)cs1
InChIInChI=1S/C14H13BrFNOS/c1-17(14(18)13-8-11(15)9-19-13)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyMHUVLAUHYDSFQA-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 86832629
5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 86851976
N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60571717
4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 115156145
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
methyl 5-[2-(4-fluorophenyl)ethyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 86832502
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide (CID 86601000) is 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide is CN(CCc1ccc(F)cc1)C(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is MHUVLAUHYDSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-17(14(18)13-8-11(15)9-19-13)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 86601000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).